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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

High-Mobility Hole Transport in Single-Grain PbSe Quantum Dot Superlattice Transistors

Epitaxially-fused superlattices of colloidal quantum dots (QD epi-SLs) may exhibit electronic minibands and high-mobility charge transport, but electrical measurements of epi-SLs have been limited to large-area, polycrystalline samples in which superlattice grain boundaries and intragrain defects suppress/obscure miniband effects. Systematic measurements of charge transport in individual, highly-ordered epi-SL grains would facilitate the study of minibands in QD films. Here, we demonstrate the air-free fabrication of microscale field-effect transistors (μ-FETs) with channels consisting of single PbSe QD epi-SL grains (2–7 μm channel dimensions) and analyze charge transport in these single-grain devices. The eight devices studied show p-channel or ambipolar transport with a hole mobility as high as 3.5 cm 2 V –1 s –1 at 290 K and 6.5 cm 2 V –1 s –1 at 170–220 K, one order of magnitude larger than that of previous QD solids. The mobility peaks at 150–220 K, but device hysteresis at higher temperatures makes the true mobility–temperature curve uncertain and evidence for miniband transport inconclusive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Sequential optical response suppression for chemical mixture characterization

The characterization of mixtures of non-interacting, spectroscopically similar quantum components has important applications in chemistry, biology, and materials science. We introduce an approach based on quantum tracking control that allows for determining the relative concentrations of constituents in a quantum mixture, using a single pulse which enhances the distinguishability of components of the mixture and has a length that scales linearly with the number of mixture constituents. To illustrate the method, we consider two very distinct model systems: mixtures of diatomic molecules in the gas phase, as well as solid-state materials composed of a mixture of components. A set of numerical analyses are presented, showing strong performance in both settings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Quantum criticality in the anisotropic spin-chain antiferromagnet Ca 2 ⁢CoH 2 ⁢(SeO 3 ) 4

Here, the quantum criticality of an XXZ-type spin chain antiferromagnet Ca 2 ⁢CoH 2 ⁢(SeO 3 ) 4 , subjected to an external magnetic field, was investigated through ultralow-temperature specific heat, magnetocaloric effect, and magnetic susceptibility measurements. In the absence of an external magnetic field, the system undergoes an antiferromagnetic phase transition at T N = 1.42K. The application of an external field gradually suppresses the antiferromagnetic order. Furthermore, an additional phase emerges in the intermediate field range when the zero-field antiferromagnetic order is suppressed, resulting in a quantum critical point at B s ≈ 2.55T. Near this field-induced quantum critical point, universal scaling behaviors are observed, characterized by the universality class parameters d=1, v=1/2, and z=2.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A spin-wave magnetometer with a positive feedback

In this work, we demonstrate experimentally the operation of a spin-wave magnetometer integrated into a circuit with a positive feedback. The circuit consists of the passive magnetic and active electric parts. The magnetic part includes a sensing element, which is a magnetic cross junction made of Y 3 Fe 2 (FeO 4 ) 3 . The electric part includes a non-linear amplifier and a phase shifter. The electric and magnetic parts are connected via micrometer size antennae. Spin waves are excited by two of these antennae while the output inductive voltage produced by the interfering spin waves is detected by the third antenna. Spin waves propagating in the orthogonal arms of the cross can accumulate significantly different phase shifts, depending on the direction and the strength of the external magnetic field. The output inductive voltage reaches its maximum in the case of constructive spin wave interference. The positive feedback provides further signal amplification. It appears possible to enhance the response function, compared to the passive circuits without a feedback, by a factor of ×100 without an increase in the noise level. The experimental data show a prominent response to the external magnetic field variation, exceeding 5 x 10 3 V/T. The intrinsic noise spectral density of the device can be as low as 10 -16 V 2 /Hz. The estimated sensitivity of the prototype device is 2 x 10 -12 T/√Hz at room temperature. We argue that spin-wave magnetometers can potentially be as sensitive as SQUIDs while operating at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Covariant Quantum Error-Correcting Codes with Metrological Entanglement Advantage

Here, we show that a subset of the basis for the irreducible representations of a tensor-product SU(2) rotation forms a covariant approximate quantum error-correcting code with transversal U(1) logical gates. Generalizing previous work on “thermodynamic codes” to general local spin and different irreducible representations using only properties of the angular momentum algebra, we obtain bounds on the code inaccuracy under generic noise on any known 𝑑 sites, under independent and identically distributed noise, and under heralded 𝑑-local erasures. We demonstrate that this family of codes protects a probe state with quantum Fisher information surpassing the standard quantum limit when the sensing parameter couples to the generator of the U(1) logical gate.

quantum error correction↗
DOE OSTI2021

Cold ion beam in a storage ring as a platform for large-scale quantum computers and simulators: Challenges and directions for research and development

The purpose of this paper is to evaluate the possibility of constructing a large-scale storage-ring-type ion-trap system capable of storing, cooling, and controlling a large number of ions as a platform for scalable quantum computing (QC) and quantum simulations. In such a trap, the ions form a crystalline beam moving along a circular path with a constant velocity determined by the frequency and intensity of the cooling lasers. In this paper, we consider a large leap forward in terms of the number of ions that serve as qubits in QC, from fewer than 100 available in state of the art linear ion-trap devices today to an order of 10 5 crystallized ions in the storage-ring setup. This new trap design unifies two different concepts: the storage rings of charged particles and the linear ion traps used for QC and mass spectrometry. In this paper, we use the language of particle accelerators to discuss the ion state and dynamics. We outline the differences between the above concepts, analyze challenges of the large ring with a revolving chain of ions, and propose goals for the research and development required to enable future quantum computers with 1000 times more qubits than available today. The challenge of creating such a large-scale quantum system while maintaining the necessary coherence of the qubits and the high fidelity of quantum logic operations is significant. Performing analog quantum simulations may be an achievable initial goal for such a device. Quantum calculations and simulations of complex quantum systems will move forward both the fundamental science and the applied research. Nuclear and particle physics, many-body quantum systems, lattice gauge theories, and nuclear structure calculations are just a few examples in which a large-scale quantum simulation system will become a very powerful tool to move forward our understanding of nature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Turbulence theories and statistical closure approaches

When discussing research in physics and in science more generally, it is common to ascribe equal importance to the three components of the scientific trinity: theoretical, experimental, and computational studies. This review will explore the future of modern turbulence theory by tracing its history, which began in earnest with Kolmogorov’s 1941 analysis of turbulence cascade and inertial range [A.N. Kolmogorov, Dokl. Akad. Nauk SSSR, 30, 299, (1941); 32, 19, (1941)]. The 80th Anniversary of Kolmogorov’s landmark study is a welcome opportunity to survey the achievements and evaluate the future of the theoretical approach of turbulence research. Over the years, turbulence theories have been critically important in laying the foundation of our understanding of the nature of turbulent flows. In particular, the Direct Interaction Approximation (DIA) [R.H. Kraichnan, J. Fluid Mech., 5, 497 (1959)] and its subsequent development, known as the statistical closure approach, can be identified as perhaps the most profound single advancement. The remarkable success of the statistical closure has furnished a platform to study such essential concepts as the energy transfer process and interacting scales, and the roles of the straining and sweeping motions. More recently, the quasi-Lagrangian formulation of V. L’vov & I. Procaccia and Kraichnan’s solvable passive scalar model provided powerful ways to explore another fundamental aspect of turbulent flows, the phenomena of intermittency, and the associated anomalous scaling exponents. In the meantime, the theory of fluid equilibria has been developed to describe the large-scale structures that can emerge from turbulent cascades of two-dimensional and geophysical flows at a later time. And yet, despite all these successes, analytical treatments suffer from mathematical complexities. As a result, the utility of theoretical approaches has been limited to relatively idealized flows. On the other hand, in recent decades, computational abilities and experimental facilities have reached an unprecedented scale. Looking beyond the horizon, the imminent deployment of exascale supercomputers will generate complete datasets of the entire flow field of key benchmark flows, allowing researchers to extract additional measurements concerning fully developed, complex turbulent flow fields far beyond those available from the statistical closure theories. Some other developments that could potentially influence the future course of turbulence theories include the advancement of machine learning, artificial intelligence, and data science; likely disruptions arising from the advent of quantum computation; and the increasingly prominent role of turbulence research in providing more accurate climate scientific data. Finally, turbulence theorists can leverage these developments by asking the right questions and developing advanced, sophisticated frameworks that will be able to predict and correlate vast amounts of data from the other two components of the trinity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Dipolar molecule emulator of lattice gauge theories (Final Report)

The quantum many-body problem is a great unsolved, cross-cutting challenge in physics that is of fundamental importance. Our understanding of phenomena related to dense quark matter, in particular, is challenged by this practical intractability of classical simulations. Because of the sheer cost and challenge of performing experiments that probe the length and energy scales relevant to such physics, there are practical motivations for finding theoretical methods to address the many-body problem. One promising approach is based on the use of a programmable and controllable analog quantum systems to emulate the physics of many-body problems of interest. While there are currently broad efforts to develop mid- to large-scale quantum computers, we are still likely many years away from such devices outperforming classical supercomputers for useful calculations. Even though digital quantum computers are still at a stage too premature for such tasks, approaches based on analog quantum simulators have advanced rapidly over the past two decades and can now treat many-body problems of interest on small- to medium-scale systems. Tackling the challenging many-body problems of relevance to high energy physics represents one of the great new opportunities and challenges for the field of analog quantum simulation. To address this challenge, this award brought together an interdisciplinary team of physicists with expertise in high energy theory (El-Khadra and Draper), computational and condensed matter physics (Clark), and experimental quantum and atomic, molecular, optical (AMO) science (DeMarco and Gadway), with the goal of developing realistic and optimized strategies for the analog quantum simulation of lattice gauge theories using cold atoms and molecules. This track 1 project included both theoretical and experimental goals, stated as follows. The theory goals were to "develop and verify a novel approach to quantum emulation of (1+1)d quantum link models, based on arrays of trapped quantum spins with long-range interactions." This final project report details the progress made under this award, as well as new research directions developed under this award.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Structural, magnetic, and magnetocaloric properties of (Nd 0.7 Ce 0.3 )YFe 17

Structural, magnetic, and magnetocaloric properties of iron-deficient (Nd 1-x Ce x )YFe 17 alloys in the rhombohedral Th 2 Zn 17 –type crystal structure prepared by arc-melting and vacuum annealing have been investigated. Among the investigated alloys, (Nd 0.7 Ce 0.3 )YFe 17 shows the highest values of magnetic entropy change and relative cooling power, namely 5.45 J kg -1 K -1 and 504 J kg -1 for a magnetic field change of 5 T. The Curie temperature and saturation magnetization of the (Nd 0.7 Ce 0.3 )YFe 17 alloy are 301 K and 162 emu/g, respectively. The absence of thermal and magnetic hysteresis with relatively high cooling capacity near room temperature suggests that Fe-deficient (Nd 0.7 Ce 0.3 )YFe 17 carries significant potential for room-temperature magnetic refrigeration.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Seeing is believing: visualization of antiferromagnetic domains

Abstract Understanding and utilizing novel antiferromagnetic (AFM) materials has been recently one of the central issues in condensed matter physics, as well as in materials science and engineering. The relevant contemporary topics include multiferroicity, topological magnetism and AFM spintronics. The ability to image magnetic domains in AFM materials is of key importance for the success of these exciting fields. While imaging techniques of magnetic domains on the surfaces of ferro-(ferri)magnetic materials with, for example, magneto-optical Kerr microscopy and magnetic force microscopy have been available for a number of decades, AFM domain imaging is a relatively new development. We review various experimental techniques utilizing scanning, optical, and synchrotron X-ray probes to visualize AFM domains and domain walls, and to unveil their physical properties. We also discuss the existing challenges and opportunities in these techniques, especially with further increase of spatial and temporal resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Topological behavior and Zeeman splitting in trigonal PtBi2-x single crystals

Abstract Transition-metal dipnictide PtBi 2 exhibits rich structural and physical properties with topological semimetallic behavior and extremely large magnetoresistance (XMR) at low temperatures. We have investigated the electrical and magnetic properties of trigonal-phase PtBi 2 -x single crystals with x ~ 0.4. Profound de Haas–van Alphen (dHvA) and Shubnikov-de Haas (SdH) oscillations are observed. Through fast Fourier transformation (FFT) analyses, four oscillation frequencies are extracted, which result from α, β, γ, and δ bands. By constructing the Landau fan diagram for each band, the Berry phase is extracted demonstrating the non-trivial nature of the α, β, and δ bands. Despite Bi deficiency, we observe the Zeeman splitting in dHvA and SdH oscillations under moderate magnetic field and the moderate Landé g factor (4.97–6.48) for the α band. Quantitative analysis of the non-monotonic field dependence including the sign change of the Hall resistivity suggests that electrons and holes in our system are not perfectly compensated thus not responsible for the XMR effect.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Percolation and nanosecond fluctuators in V 2 O 3 films within the metal–insulator transition

Vanadium sesquioxide (V 2 O 3 ) exhibits a metal–insulator transition (MIT) at 160 K between a low temperature, monoclinic, antiferromagnetic Mott insulator and a high temperature, rhombohedral, paramagnetic, metallic phase. In thin films, a percolative transition takes place over a finite temperature range of phase coexistence. We study the fluctuating dynamics of this percolative MIT by measuring voltage noise spectra at both low frequencies (up to 100 kHz) and radio frequencies (between 10 MHz and 1 GHz). Noise intensity quadratic in bias is observed in the MIT region, as expected for resistive fluctuations probed nonperturbatively by the current. The low frequency noise resembles flicker-type 1/f β noise, often taking on the form of Lorentzian noise dominated by a small number of fluctuators as the volume fraction of the insulating phase dominates. Radio frequency noise intensity also quadratic in the bias current allows the identification of resistance fluctuations with lifetimes below 1 ns, approaching timescales seen in non-equilibrium pump–probe studies of the transition. We find quantitative consistency with a model for fluctuations in the percolative fraction. The thermodynamics of the MIT suggests that dominant fluctuations are ones that alter small volumes affecting the connectivity of domain boundaries. This noise serves as a sensitive and nonperturbative probe for the dynamics of switching phenomena in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Learning-based approach to plasticity in athermal sheared amorphous packings: Improving softness

The plasticity of amorphous solids undergoing shear is characterized by quasi-localized rearrangements of particles. While many models of plasticity exist, the precise relationship between the plastic dynamics and the structure of a particle’s local environment remains an open question. Previously, machine learning was used to identify a structural predictor of rearrangements called “softness.” Although softness has been shown to predict which particles will rearrange with high accuracy, the method can be difficult to implement in experiments where data are limited and the combinations of descriptors it identifies are often difficult to interpret physically. Here, we address both of these weaknesses, presenting two major improvements to the standard softness method. First, we present a natural representation of each particle’s observed mobility, allowing for the use of statistical models that are both simpler and provide greater accuracy in limited datasets. Second, we employ persistent homology as a systematic means of identifying simple, topologically informed, structural quantities that are easy to interpret and measure experimentally. We test our methods on two-dimensional athermal packings of soft spheres under quasi-static shear. We find that the same structural information that predicts small variations in the response is also predictive of where plastic events will localize. We also find that an excellent accuracy is achieved in athermal sheared packings using simply a particle’s species and the number of nearest neighbor contacts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Excitation of fishbone-like mode in tokamaks due to bounce resonances of trapped thermal ions

When the drift kinetic effect of thermal ions is taken into account, a high-frequency fishbone-like mode (FLM) is found to be driven unstable by trapped thermal ions (TTIs) in tokamak plasmas, according to self-consistent magneto-hydrodynamic (MHD)-kinetic hybrid modeling utilizing the MARS-K code [Liu et al., Phys. Plasmas 15, 112503 (2008)] as well as an analytic theory. It is found that, similar to energetic particles, TTIs can also stabilize the internal kink mode, whereas the FLM is excited when the effective beta of TTIs exceeds a threshold value. The real frequency of the FLM is comparable to the bounce frequency of TTIs. The mode structure of the FLM can be significantly different from the conventional step-like function for the associated plasma radial displacement. This drift kinetic induced modification of the mode structure near the q = 1 surface is captured by non-perturbative MHD-kinetic hybrid computations with MARS-K. Furthermore, the FLM can only be triggered by TTIs at sufficiently high thermal temperatures. Both the FLM and the internal kink can be stabilized by sufficiently fast plasma toroidal rotation and parallel sound wave damping. These two conditions of high thermal temperature and (fast) flow stabilization, though making it challenging to observe the TTI-driven FLM in present day experiments, are favorable for the mode excitation in future reactor scale devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The spin selectivity effect in chiral materials

We overview experiments performed on the chiral induced spin selectivity (CISS) effect using various materials and experimental configurations. Through this survey of different material systems that manifest the CISS effect, we identify several attributes that are common to all the systems. Among these are the ability to observe spin selectivity for two point contact configurations, when one of the electrodes is magnetic, and the correlation between the optical activity of the chiral systems and a material’s spin filtering properties. In addition, recent experiments show that spin selectivity does not require pure coherent charge transport and the electron spin polarization persists over hundreds of nanometers in an ordered medium. Finally, we point to several issues that still have to be explored regarding the CISS mechanism. Among them is the role of phonons and electron–electron interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Monte Carlo simulation to study the effect of molecular spin state on the spatio-temporal evolution of equilibrium magnetic properties of magnetic tunnel junction based molecular spintronics devices

With a variable spin state, paramagnetic molecules can affect the impact of magnetic exchange coupling strength between two ferromagnetic electrodes. Our magnetic tunnel junction based molecular spintronics devices (MTJMSD) were successful in connecting paramagnetic single molecular magnet (SMM) between two ferromagnetic electrodes. Isolated SMM exhibited a wide range of spin states. However, it was extremely challenging to identify the SMM spin state when connected to the ferromagnetic electrodes. Our prior experimental and Monte Carlo Simulations (MCS) studies showed that paramagnetic molecules produced unprecedented strong antiferromagnetic coupling between two ferromagnets at room temperature. The overall antiferromagnetic coupling occurred when a paramagnetic SMM made antiferromagnetic coupling to the first electrode and ferromagnetic coupling to the second ferromagnetic electrode. This paper studies the impact of variable molecular spin states of the SMMs, producing strong antiferromagnetic coupling between the ferromagnetic electrodes of MTJMSD. The MTJMSD used in this study was represented by an 11 x 50 x 50 Ising model, with 11 being the thickness of the MTJMSD and 5 x 10 x 50 being each electrode’s size. We employed a continuous MCS algorithm to investigate SMM’s spin state’s impact as a function of molecular exchange coupling strength and thermal energy.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Erosion of focus rings in capacitively coupled plasma etching reactors

In plasma etching reactors, the structure surrounding the wafer, often called a focus ring (FR), plays an important role in maintaining uniform fluxes of reactants across the wafer. The FR is typically made of dielectric materials. During the plasma etching process, the sheath that forms over the wafer to accelerate ions anisotropically into the surface extends over the FR. Electrical charging of the FR modifies the sheath relative to that over the wafer. On the one hand, one wants the sheath to be uniform across the wafer-FR boundary to enable uniform fluxes to the edge of the wafer. On the other hand, maintaining a high voltage sheath over the FR will erode the FR, which is undesirable as the FR is a consumable component that must be periodically replaced in high volume manufacturing. In this work, we computationally investigated the consequences of dielectric constant ε of the FR materials on erosion of the FR. The series capacitance of the FR and its underlying structure is typically smaller than that of the wafer and its underlying structure. As a result, the FR charges quickly relative to the wafer, which then reduces the voltage across the sheath on top of the FR. The ion energy and angular distributions (IEADs) striking the FR are, therefore, generally lower in energy with a broader angular distribution. With ε = 2, the ion energies striking the middle to the outer edge of the FR are 30–180 eV, whereas for ε = 100, the ion energies are 120–380 eV. At the transition between the wafer and the FR, there is a skew in the IEAD as large as 15° that results from the difference in sheath thickness above the wafer and the FR. This skew and the erosion rate across the FR are functions of the dielectric constant of the FR material. With low ε, the FR charges quickly, less plasma is produced above the FR, and there is less voltage across the sheath that results in less FR erosion. Increasing ε of the FR produces a higher sheath voltage as well as higher ion fluxes over the FR, which increases erosion, while the skew at the edge of the wafer is less severe. Further, the material of the subsurface portion of the FR, which dominates its capacitance, is an important consideration in the design of the substrate assembly.

36 MATERIALS SCIENCE↗